SCHEMBL1012872

SCHEMBL1012872

CCN1CCN(c2ncc(C(=O)NC3CC3)c(C)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.52
MAPT P10636 6/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD11B1 P28845 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGDS O60760 1/20 0.43
AXL P30530 1/20 0.42
FLT3 P36888 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
GAS6 Q14393 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1014757 0.95 PTPN11 (0.50) PTPN11MAPTPOLBSMN1; SMN2HSD11B1
SCHEMBL1014750 0.94 POLB (0.50) PTPN11MAPTPOLBSMN1; SMN2HSD11B1
SCHEMBL1013801 0.83 HSD11B1 (0.64) PTPN11MAPTPOLBSMN1; SMN2HSD11B1
SCHEMBL1014028 0.83 POLB (0.61) MAPTPOLBSMN1; SMN2HSD11B1KDM4E
SCHEMBL1014776 0.82 POLB (0.64) MAPTPOLBSMN1; SMN2HSD11B1KDM4E
SCHEMBL1017870 0.82 POLB (0.64) MAPTPOLBSMN1; SMN2HSD11B1KDM4E
SCHEMBL1014719 0.81 POLB (0.53) MAPTPOLBSMN1; SMN2HSD11B1KDM4E
SCHEMBL1013784 0.81 POLB (0.53) MAPTPOLBSMN1; SMN2HSD11B1KDM4E
SCHEMBL1014624 0.79 HSD11B1 (0.62) PTPN11MAPTPOLBSMN1; SMN2HSD11B1
SCHEMBL1016067 0.78 PDE5A (0.48) PTPN11HSD11B1TYRO3MERTKGAS6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066335-A Substituted pyrimidin-5-carboxamides 281 ASTRAZENECA AB 2011-05-18 CN disclosed
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 PTPN11 3353/4885MAPT 4375/4885POLB 2006/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.